3-methyloct-7-ene-2,6-diimine

C9H16N2 — CID 167256727

IUPAC3-methyloct-7-ene-2,6-diimine
SMILES[H]/N=C(\C=C)CCC(C)/C(C)=N/[H]
InChIInChI=1S/C9H16N2/c1-4-9(11)6-5-7(2)8(3)10/h4,7,10-11H,1,5-6H2,2-3H3/b10-8+,11-9+
InChIKeyJSBVEQWXTCOMCK-GFULKKFKSA-N
MW152.24 g/mol
LogP2.65
Rot. Bonds5

About 3-methyloct-7-ene-2,6-diimine

3-methyloct-7-ene-2,6-diimine (PubChem CID 167256727) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyloct-7-ene-2,6-diimine.

Molecular Properties

Compound Name3-methyloct-7-ene-2,6-diimine
PubChem CID167256727
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-methyloct-7-ene-2,6-diimine
SMILES[H]/N=C(\C=C)CCC(C)/C(C)=N/[H]
InChIInChI=1S/C9H16N2/c1-4-9(11)6-5-7(2)8(3)10/h4,7,10-11H,1,5-6H2,2-3H3/b10-8+,11-9+
InChIKeyJSBVEQWXTCOMCK-GFULKKFKSA-N
XLogP2.65
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methyloct-7-ene-2,6-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyloct-7-ene-2,6-diimine?
The IUPAC name of 3-methyloct-7-ene-2,6-diimine (CID 167256727) is 3-methyloct-7-ene-2,6-diimine.
What is the SMILES notation for 3-methyloct-7-ene-2,6-diimine?
The canonical SMILES for 3-methyloct-7-ene-2,6-diimine is [H]/N=C(\C=C)CCC(C)/C(C)=N/[H].
What is the InChIKey of 3-methyloct-7-ene-2,6-diimine?
The InChIKey is JSBVEQWXTCOMCK-GFULKKFKSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-9(11)6-5-7(2)8(3)10/h4,7,10-11H,1,5-6H2,2-3H3/b10-8+,11-9+.
What are the key properties of 3-methyloct-7-ene-2,6-diimine?
3-methyloct-7-ene-2,6-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloct-7-ene-2,6-diimine is sourced from PubChem (CID 167256727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).